SCHEMBL1608808

SCHEMBL1608808

O=C(NC1CC1)C1CNCCO1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 16/20 0.52
POLB P06746 1/20 0.43
EPHX1 P07099 1/20 0.38
CTSC P53634 1/20 0.38
SSTR1 P30872 1/20 0.38
SSTR2 P30874 1/20 0.38
SSTR3 P32745 1/20 0.38
SSTR5 P35346 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13012361 0.92 SSTR4 (0.59) SSTR4POLBEPHX1
Hydrochloric Acid SCHEMBL12611047 0.90 SSTR4 (0.58) SSTR4POLBEPHX1
Trifluoroacetic Acid SCHEMBL1609200 0.89 SSTR4 (0.48) SSTR4POLBCTSC
SCHEMBL23091664 0.86 SSTR4 (0.48) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL10908504 0.79 SSTR4 (0.53) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL1705991 0.78 SSTR4 (0.51) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL8361236 0.78 SSTR4 (0.51) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL20715370 0.78 SSTR4 (0.55) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL21902109 0.78 SSTR4 (0.55) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL670479 0.78 SSTR4 (0.55) SSTR4SSTR1SSTR2SSTR3SSTR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 US disclosed
US-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 US disclosed
US-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 US disclosed
EP-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
US-7615642-B2 Therapeutic compounds ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-7615642-B2 Therapeutic compounds ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-7615642-B2 Therapeutic compounds ASTRAZENECA AB (SE) 2009-11-10 US disclosed
EP-2010526-A1 BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120101-A1 BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-10-25 WO disclosed
WO-2007120101-A1 BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-10-25 WO disclosed
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management ASTRAZENECA AB (SE) 2007-10-18 US disclosed
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management ASTRAZENECA AB (SE) 2007-10-18 US disclosed
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management ASTRAZENECA AB (SE) 2007-10-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110086853-A1 Therapeutic Compounds OPRL1, F12, F3 SSTR4 530/4885POLB 4649/4885EPHX1 1745/4885
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management OPRM1, OPRL1, OPRK1 SSTR4 180/4885POLB 4612/4885EPHX1 2351/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.